N-[(4-carbamimidoylphenyl)methyl]-1-[4,4-dimethyl-2-(methylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[4,4-dimethyl-2-(methylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(methanesulfonamido)-4,4-dimethyl-pentanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(methanesulfonamido)-4,4-dimethyl-1-oxopentyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(methanesulfonamido)-4,4-dimethylpentanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-(methanesulfonamido)-4,4-dimethyl-pentanoyl]pyrrolidine-2-carboxamide Formula: C21H33N5O4S MolecularWeight: 451.58282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)N1CCCC1C(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C

Isomeric SMILES

CC(C)(C)CC(C(=O)N1CCCC1C(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C

InChI

InChI=1S/C21H33N5O4S/c1-21(2,3)12-16(25-31(4,29)30)20(28)26-11-5-6-17(26)19(27)24-13-14-7-9-15(10-8-14)18(22)23/h7-10,16-17,25H,5-6,11-13H2,1-4H3,(H3,22,23)(H,24,27)